Pyrimidine

Pyrimidine

SCHEMBL3604935

O=C1C=NCc2ccccc21.c1cncnc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CES1 P23141 1/20 0.34
MAOA P21397 1/20 0.34
PLAU P00749 1/20 0.34
TSHR P16473 1/20 0.34
CYP19A1 P11511 10/20 0.34
KMT2A Q03164 2/20 0.33
TNF P01375 2/20 0.33
MIF P14174 2/20 0.33
PKM P14618 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDPK1 O15530 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL691140 0.89 MAOA (0.41) CA12CA9CES1MAOAPLAU
SCHEMBL3590143 0.80 TSHR (0.40) CA12CA9CES1MAOAPLAU
Pyrimidine SCHEMBL3604939 0.72 HTT (0.34) MAOACYP19A1MAPT
Anthrone SCHEMBL27728585 0.71 MAOA (0.72) CYP11B2CES1MAOACYP19A1KMT2A
Fluorene SCHEMBL27615364 0.69 MAOA (0.50) CYP11B2CES1MAOATSHRCYP19A1
Fluorene SCHEMBL29105569 0.69 MAOA (0.50) CYP11B2CES1MAOATSHRCYP19A1
Anthraquinone SCHEMBL28121371 0.68 MEN1 (0.63) CES1MAOATSHRKMT2AKDM4E
Pyrimidine SCHEMBL29178070 0.67 CYP19A1 (0.43) CYP11B2CES1MAOATSHRCYP19A1
SCHEMBL10846631 0.66 PLAU (0.41) CES1MAOAPLAUTSHRKDM4E
SCHEMBL6508302 0.66 PLAU (0.41) CES1MAOAPLAUTSHRKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
EP-1417196-A1 DNA-PK INHIBITORS Cancer Research Technology Limited (GB) 2004-05-12 EP disclosed
WO-2003024949-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-03-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 CYP11B2 793/4885CA12 4438/4885CA9 3146/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.